Information card for entry 4330794

Structure parameters

• Formula: C92 H116 Cl4 Gd4 N8 O22
• Calculated formula: C92 H110 Cl4 Gd4 N8 O22
• SMILES: C1=[N]2[C@H]3CCCC[C@@H]3[N]3=Cc4cccc5[O](C)[Gd]6789%10%11([O](C)c%12cccc1c%12[O]6[Gd]16%1223([O]7c45)[O]2c3c(C=N[C@@H]4[C@@H]([NH+]=Cc5cccc7[O](C)[Gd]%13%14%15%162([O](C)c2cccc%17c2[O]%13[Gd]2%13%18([N](=C%17)[C@@H]%17CCCC[C@H]%17[N]2=Cc2cccc([O]%15C)c2[O]%14%13)([O]%10c2c(C=N[C@H]%10[C@H]([NH+]=Cc%13cccc([O]8C)c%13O9)CCCC%10)cccc2[O]%18C)([O]%116)[O]%12%16)(Oc57)Cl)CCCC4)cccc3[O]1C)Cl.C(C)O.[Cl-].O.C(C)O.[Cl-].O
• Title of publication: Anion-Induced Self-Assembly of Luminescent and Magnetic Homoleptic Cyclic Tetranuclear Ln4(Salen)4 and Ln4(Salen)2 Complexes (Ln = Nd, Yb, Er, or Gd)
• Authors of publication: Weixu Feng; Yao Zhang; Zhao Zhang; Xingqiang Lü; Han Liu; Guoxiang Shi; Dan Zou; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11377 - 11386
• a: 18.506 ± 0.003 Å
• b: 16.011 ± 0.002 Å
• c: 18.964 ± 0.003 Å
• α: 90°
• β: 95.885 ± 0.002°
• γ: 90°
• Cell volume: 5589.4 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No